REAL300033159797.mol2 33                                                        
   1       C     0.05     0.29     9.37      59.85       0.56     0.85     16
   2       N    -0.57    -3.91     3.09    -175.74      -0.54    -4.46     16
   3       C     0.47     3.54     7.00     -10.99      -0.08     3.47     16
   4       O    -0.46    -5.32    11.95       5.55       0.07    -5.26     16
   5       C     0.36     1.88     4.02      36.01       0.14     2.02     16
   6       F    -0.01    -0.08    16.66       2.25       0.04    -0.04     16
   7       F    -0.08    -1.06    13.71       2.25       0.03    -1.03     16
   8       F    -0.20    -2.68    15.88       2.25       0.04    -2.64     16
   9       F    -0.20    -2.94    13.71       2.25       0.03    -2.91     16
  10       F    -0.29    -3.89    15.87       2.25       0.04    -3.85     16
  11       C     0.10     0.82     4.52     -70.15      -0.32     0.50     16
  12       C     0.10     0.98     7.85      -2.98      -0.02     0.96     16
  13       N    -0.65    -9.20     2.41    -179.78      -0.43    -9.63     16
  14       C     0.63    13.26     7.72     -12.48      -0.10    13.16     16
  15       O    -0.50   -12.53    16.45     -13.00      -0.21   -12.75     16
  16       C    -0.05    -1.25     6.68     -83.92      -0.56    -1.81     16
  17       N    -0.49    -9.97     9.34      24.02       0.22    -9.74     16
  18       S     0.39     8.01    24.20    -107.50      -2.60     5.41     16
  19       N    -0.60   -16.13    12.18      28.49       0.35   -15.78     16
  20       C     0.38    11.18     8.19     -17.49      -0.14    11.04     16
  21       O    -0.66   -22.70    17.64     -37.40      -0.66   -23.36     16
  22       C     0.11     1.20     7.32      -2.98      -0.02     1.18     16
  23       H     0.08     0.54     8.14     -51.93      -0.42     0.12     16
  24       H     0.11     0.95     5.46     -51.93      -0.28     0.66     16
  25       H     0.07     0.10     6.44     -51.93      -0.33    -0.24     16
  26       H     0.18     0.22     7.61     -51.93      -0.40    -0.17     16
  27       H     0.18     0.09     6.91     -51.93      -0.36    -0.27     16
  28       H     0.13     0.95     7.24     -51.93      -0.38     0.58     16
  29       H     0.10     0.80     8.14     -51.93      -0.42     0.38     16
  30       H     0.09     0.79     7.23     -51.93      -0.38     0.41     16
  31       H     0.10     1.16     7.33     -51.93      -0.38     0.77     16
  32       H     0.10     0.95     8.14     -51.92      -0.42     0.53     16
 Total:         -1.00   -43.95   308.40                 -3.30   -47.25